SCHEMBL2869618

SCHEMBL2869618

Cc1cc(CNc2ccc(C(F)(F)F)cc2)ccc1Sc1ccc(OC(C)C(=O)O)cc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.46
PPARD Q03181 8/20 0.46
FFAR1 O14842 4/20 0.44
TDP1 Q9NUW8 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PPARG P37231 5/20 0.40
IDH1 O75874 1/20 0.40
EPHX2 P34913 1/20 0.39
ADRA2A P08913 1/20 0.39
CACNA1B Q00975 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2874509 0.90 IDH1 (0.50) PPARAPPARDFFAR1FFAR4PPARG
SCHEMBL13513783 0.79 PPARD (0.61) PPARAPPARDFFAR1PPARG
SCHEMBL29459594 0.78 PPARD (0.58) PPARAPPARDFFAR1PPARG
SCHEMBL2869616 0.78 PPARD (0.58) PPARAPPARDFFAR1PPARG
SCHEMBL13513792 0.76 PPARD (0.75) PPARAPPARDPPARG
SCHEMBL2874504 0.74 PPARD (0.50) PPARAPPARDFFAR1PPARGIDH1
SCHEMBL10946026 0.73 CYP1A2 (0.51) PPARAPPARDTDP1PPARGIDH1
SCHEMBL13512225 0.72 PPARD (0.63) PPARAPPARDPPARG
SCHEMBL13513779 0.72 PPARD (0.56) PPARAPPARDFFAR1PPARG
SCHEMBL25212758 0.71 CYP1A2 (0.59) PPARAPPARDTDP1PTGDR2PPARG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435946-B1 LINKED BIARYL COMPOUNDS AMGEN INC (US) 2013-11-06 EP disclosed
US-7645779-B2 Linked biaryl compounds AMGEN INC. (US) 2010-01-12 US disclosed
US-20080161351-A1 Linked biaryl compounds TULARIK INC. 2008-07-03 US disclosed
EP-1435946-A4 LINKED BIARYL COMPOUNDS TULARIK INC (US) 2006-02-01 EP disclosed
US-6869975-B2 Linked biaryl compounds TULARIK INC. (US) 2005-03-22 US disclosed
EP-1435946-A2 LINKED BIARYL COMPOUNDS Tularik Inc. (US) 2004-07-14 EP disclosed
US-20030149108-A1 Linked biaryl compounds TULARIK INC. 2003-08-07 US disclosed
WO-2003024395-A2 LINKED BIARYL COMPOUNDS TULARIK INC. (US) 2003-03-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030149108-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB PPARA 89/4885PPARD 55/4885FFAR1 433/4885
US-20080161351-A1 Linked biaryl compounds SREBF2, SREBF1, ACACB PPARA 89/4885PPARD 55/4885FFAR1 433/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.